SCHEMBL24650258

SCHEMBL24650258

CCOc1cc2c(c(OCCCC(=O)O)c1)CC(N)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.40
FFAR1 O14842 2/20 0.40
TSHR P16473 2/20 0.40
PPARD Q03181 2/20 0.38
EDNRA P25101 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
HTR2A P28223 1/20 0.35
ACHE P22303 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MEN1 O00255 1/20 0.34
ALOX15 P16050 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
S1PR5 Q9H228 1/20 0.34
SQSTM1 Q13501 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
PLA2G1B P04054 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24650728 0.95 FFAR4 (0.40) FFAR4FFAR1TSHRPPARDHTR2A
SCHEMBL24650259 0.89 FFAR1 (0.41) FFAR4FFAR1TSHRPPARDPTGDR2
SCHEMBL24650394 0.89 MCL1 (0.42) FFAR4FFAR1TSHRPPARDHTR2A
SCHEMBL24650824 0.88 BRD4 (0.43) MEN1KMT2A
SCHEMBL24650816 0.88 MAPT (0.41) ACHECNR1CNR2KMT2A
SCHEMBL24650745 0.88 PPARD (0.40) FFAR4FFAR1TSHRPPARDACHE
SCHEMBL24651079 0.84 SQSTM1 (0.41) FFAR4FFAR1TSHRPPARDHTR2A
SCHEMBL24651159 0.84 L3MBTL1 (0.37) ACHECNR1CNR2KMT2A
SCHEMBL24650379 0.84 L3MBTL1 (0.43) FFAR1TSHRPPARDALOX15HSD17B10
SCHEMBL24650737 0.83 TSHR (0.44) FFAR4FFAR1TSHRPPARDPTGDR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022238507-A1 THERAPEUTIC AMINOINDANE COMPOUNDS AND COMPOSITIONS AWAKN LS EUROPE HOLDINGS LIMITED (IE) 2022-11-17 WO disclosed